4-bromo-N-(2-methoxyethoxy)benzamide

C10H12BrNO3 — CID 79676789

IUPAC4-bromo-N-(2-methoxyethoxy)benzamide
SMILESCOCCONC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c1-14-6-7-15-12-10(13)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyOLRULFRBSDSNDV-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.76
Rot. Bonds5

About 4-bromo-N-(2-methoxyethoxy)benzamide

4-bromo-N-(2-methoxyethoxy)benzamide (PubChem CID 79676789) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxyethoxy)benzamide
PubChem CID79676789
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name4-bromo-N-(2-methoxyethoxy)benzamide
SMILESCOCCONC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c1-14-6-7-15-12-10(13)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyOLRULFRBSDSNDV-UHFFFAOYSA-N
XLogP1.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79676704
3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 79672966
N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide
CID 79676602
4-bromo-N-phenylmethoxybenzamide
CID 41450559
methyl (2S)-2-[(4-bromobenzoyl)amino]-4-methoxybutanoate
CID 59948655
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875
2-[(4-bromobenzoyl)amino]-3-methoxypropanoic acid
CID 81076799
4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide
CID 112980909
3-hydroxy-N-(2-methoxyethoxy)benzamide
CID 82722823
4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701326

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxyethoxy)benzamide?
The IUPAC name of 4-bromo-N-(2-methoxyethoxy)benzamide (CID 79676789) is 4-bromo-N-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 4-bromo-N-(2-methoxyethoxy)benzamide?
The canonical SMILES for 4-bromo-N-(2-methoxyethoxy)benzamide is COCCONC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-methoxyethoxy)benzamide?
The InChIKey is OLRULFRBSDSNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-14-6-7-15-12-10(13)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 4-bromo-N-(2-methoxyethoxy)benzamide?
4-bromo-N-(2-methoxyethoxy)benzamide has a molecular weight of 274.11 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 79676789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).